D429-0301 Screening compound: N-cyclohexyl-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide

D429-0301 Screening compound: N-cyclohexyl-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
D429-0301 Screening compound: N-cyclohexyl-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D429-0301
N-cyclohexyl-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D429-0301

Molecular Formula

C22H23NO3 (C22 H23 NO3)

Compound Name

N-cyclohexyl-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide

IUPAC name

N-cyclohexyl-1-oxo-3-phenyl-34-dihydro-1H-2-benzopyran-6-carboxamide

SMILES

O=C(c(cc1)cc(CC(c2ccccc2)O2)c1C2=O)NC1CCCCC1

InChI

InChI=1S/C22H23NO3/c24-21(23-18-9-5-2-6-10-18)16-11-12-19-17(13-16)14-20(26-22(19)25)15-7-3-1-4-8-15/h1,3-4,7-8,11-13,18,20H,2,5-6,9-10,14H2,(H,23,24)/t20-/m0/s1

InChI Key

ITBRQBJECCQUAO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14828318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.574

Distribution Coefficient, logD

4.574

Water Solubility, LogSw

-4.55

Polar Surface Area

44.930

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with D429-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D429-0301?
Check Price and Availability of D429-0301, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D429-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D429-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D429-0301
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D429-0301 available by request